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Home > Bromides > 1242336-70-4
1242336-70-4 | Benzoic acid, 3-bromo-5-(phenylmethoxy)-
CAS No: 1242336-70-4 Catalog No: AG000LQ8 MDL No:MFCD17015777
Product Description
Catalog Number:
AG000LQ8
Chemical Name:
Benzoic acid, 3-bromo-5-(phenylmethoxy)-
CAS Number:
1242336-70-4
Molecular Formula:
C14H11BrO3
Molecular Weight:
307.1393
MDL Number:
MFCD17015777
IUPAC Name:
3-bromo-5-phenylmethoxybenzoic acid
InChI:
InChI=1S/C14H11BrO3/c15-12-6-11(14(16)17)7-13(8-12)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChI Key:
GFROXMGZVLABNJ-UHFFFAOYSA-N
SMILES:
Brc1cc(OCc2ccccc2)cc(c1)C(=O)O
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.989g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.143g/mol
Monoisotopic Mass:
305.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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